1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

C20H22N2O4S — CID 18125907

IUPAC1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-26-17-8-11-19-15(14-17)4-2-13-22(19)27(24,25)18-9-6-16(7-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
InChIKeyRFZJIZKGOWLQFO-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.96
Rot. Bonds4

About 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one

1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (PubChem CID 18125907) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
PubChem CID18125907
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
SMILESCOc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H22N2O4S/c1-26-17-8-11-19-15(14-17)4-2-13-22(19)27(24,25)18-9-6-16(7-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3
InChIKeyRFZJIZKGOWLQFO-UHFFFAOYSA-N
XLogP2.96
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one (CID 18125907) is 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
The InChIKey is RFZJIZKGOWLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-26-17-8-11-19-15(14-17)4-2-13-22(19)27(24,25)18-9-6-16(7-10-18)21-12-3-5-20(21)23/h6-11,14H,2-5,12-13H2,1H3.
What are the key properties of 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one?
1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one has a molecular weight of 386.47 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 18125907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).